N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine

C17H24N2S — CID 62420227

IUPACN-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2cccs2)cc1
InChIInChI=1S/C17H24N2S/c1-3-10-18-12-15-6-8-16(9-7-15)13-19(2)14-17-5-4-11-20-17/h4-9,11,18H,3,10,12-14H2,1-2H3
InChIKeyFDUPZHFVXYIIMZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.88
Rot. Bonds8

About N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine

N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine (PubChem CID 62420227) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
PubChem CID62420227
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)Cc2cccs2)cc1
InChIInChI=1S/C17H24N2S/c1-3-10-18-12-15-6-8-16(9-7-15)13-19(2)14-17-5-4-11-20-17/h4-9,11,18H,3,10,12-14H2,1-2H3
InChIKeyFDUPZHFVXYIIMZ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62421351
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
N-[[5-methyl-4-[[methyl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80727702
N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
CID 79494864
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methyl]propan-1-amine
CID 62412365
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
N-[[2-(thiophen-2-ylmethyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62757503

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine (CID 62420227) is N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)Cc2cccs2)cc1.
What is the InChIKey of N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
The InChIKey is FDUPZHFVXYIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-10-18-12-15-6-8-16(9-7-15)13-19(2)14-17-5-4-11-20-17/h4-9,11,18H,3,10,12-14H2,1-2H3.
What are the key properties of N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine?
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62420227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).